SCHEMBL6178386

SCHEMBL6178386

C=C(Br)C(=O)Nc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.50
BCL2L1 Q07817 1/20 0.46
GPR35 Q9HC97 1/20 0.43
TBXAS1 P24557 2/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN2 P17706 2/20 0.39
PIN1 Q13526 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17135415 0.80 HDAC1 (0.55) HDAC1BCL2L1GPR35TBXAS1MEN1
SCHEMBL3572716 0.76 HDAC1 (0.56) HDAC1BCL2L1GPR35TBXAS1MEN1
SCHEMBL15697580 0.76 HDAC1 (0.82) HDAC1BCL2L1MEN1MAPTKMT2A
SCHEMBL15697503 0.76 HDAC1 (0.51) HDAC1BCL2L1GPR35TBXAS1PTPN2
SCHEMBL6970911 0.76 RAB9A (0.44) MAPT
SCHEMBL18893616 0.74 HDAC1 (0.54) HDAC1BCL2L1MEN1MAPTKMT2A
SCHEMBL19880960 0.74 BCL2L1 (0.51) HDAC1BCL2L1GPR35TBXAS1MEN1
SCHEMBL16396248 0.73 HDAC1 (0.48) HDAC1BCL2L1GPR35TBXAS1MEN1
SCHEMBL5805558 0.73 HDAC1 (0.81) HDAC1BCL2L1MEN1MAPTKMT2A
SCHEMBL15697598 0.71 MEN1 (0.55) HDAC1BCL2L1GPR35TBXAS1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064281-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-25 EP disclosed
EP-0937070-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2003-12-03 EP disclosed
US-6458768-B1 ANTITUMOR AGENTS THAT CAN BE FORMULATED WITH A COMPOUND ALTERNATIVELY, CAN BE ADMINISTERED IN A MIXTURE OF DRUGS PHARMACIA & UPJOHN, S.P.A. (IT) 2002-10-01 US disclosed
EP-1064281-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-01-03 EP disclosed
US-6153642-A Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-28 US disclosed
WO-1999050266-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-07 WO disclosed
EP-0937070-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-08-25 EP disclosed
WO-1998021202-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-05-22 WO disclosed